SCHEMBL2477253

SCHEMBL2477253

CN(C)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.60
NR3C2 P08235 1/20 0.59
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
TSHR P16473 3/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTR7 P34969 2/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CYP2D6 P10635 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9481726 0.84 NR3C2 (0.78) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2
SCHEMBL28394019 0.84 NR3C1 (0.59) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2
SCHEMBL27183050 0.82 ALDH1A1 (0.47) NR3C1ALDH1A1SMN1; SMN2MAPK1ALOX15
SCHEMBL698855 0.82 KEAP1 (0.70) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2
SCHEMBL5945125 0.81 NR3C1 (0.68) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2
SCHEMBL29407201 0.81 NR3C1 (0.68) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2
SCHEMBL7024769 0.80 NR3C2 (0.58) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11059615 0.80 NR3C1 (0.67) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2
SCHEMBL7528456 0.80 CA2 (0.56) NR3C1ALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL28974174 0.78 NR3C1 (0.65) NR3C1NR3C2KEAP1ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5718731-A Oxidation hair dye composition based on 4,5-diaminopyrazole and m-phenylenediamine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1998-02-17 US claimed
EP-0692245-B1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives WELLA AG (DE) 1997-05-02 EP claimed
EP-0692245-A1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives Wella Aktiengesellschaft (DE) 1996-01-17 EP claimed
EP-4327874-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2024-02-28 EP disclosed
EP-3689346-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS FOR TREATING TAUOPATHIES WISTA LAB LTD (SG) 2024-01-24 EP disclosed
EP-3689346-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2020-08-05 EP disclosed
EP-3112358-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LAB LTD (SG) 2020-04-29 EP disclosed
US-10399955-B2 3,6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2019-09-03 US disclosed
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2017-03-30 US disclosed
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2017-03-30 US disclosed
US-9549933-B2 3,6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2017-01-24 US disclosed
US-20110300074-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2011-12-08 US disclosed
US-20110300074-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2011-12-08 US disclosed
EP-2373660-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS Wista Laboratories Ltd. (SG) 2011-10-12 EP disclosed
WO-2010067078-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LABORATORIES LTD. (SG) 2010-06-17 WO disclosed
WO-2010067078-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LABORATORIES LTD. (SG) 2010-06-17 WO disclosed
US-5718731-A Oxidation hair dye composition based on 4,5-diaminopyrazole and m-phenylenediamine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5718731-A Oxidation hair dye composition based on 4,5-diaminopyrazole and m-phenylenediamine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0692245-B1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives WELLA AG (DE) 1997-05-02 EP disclosed
EP-0692245-A1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives Wella Aktiengesellschaft (DE) 1996-01-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10399955-B2 3,6-disubstituted xanthylium salts MAPT, PSEN2, PSEN1 NR3C1 3471/4885NR3C2 2983/4885KEAP1 251/4885
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 NR3C1 3471/4885NR3C2 2983/4885KEAP1 251/4885
US-20110300074-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 NR3C1 2468/4885NR3C2 1543/4885KEAP1 305/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.